Geometry & MOs

Info

ID:	266958
PubChem CID:	103580212
Reduced:	BrClON3C10H11 (1)
Stoich.:	ABCD3E10F11 (1)
Weight, g/mol:	318.01345
ΔH_f, kcal/mol:	-17.87
Dipole, Da:	4.99
IP(EA), eV:	-8.8(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(5-bromo-3-chloropyridin-2-yl)piperidin-3-yl]ethanol

Drug info:

PubChemData

Smile

C1CN(CC1C(=O)N)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations